Re: [ccp4bb] scale data with multiple MTZ files

2008-01-10 Thread Roger Rowlett
Huiying Li wrote: I tried to scale, using SCALA through CCP4i GUI, three blocks of data collected with one crystal (3 mtz files output from MOSFLM). The GUI has only one MTZ input slot. Which program can be used to combine the 3 unmerged mtz files together? CAD refused to handle these raw mtz f

[ccp4bb] crystallization robot

2008-01-10 Thread Kendall Nettles
We have been quite happy with our crystallization robot from Innovadyne. It transfers from deep well blocks to crystallization plates, and very reliably sets up 200nl + 200nl drops. We have tried smaller drops with decent success, which works better with certain plates. It can be easily programmed,

[ccp4bb] scale data with multiple MTZ files

2008-01-10 Thread Huiying Li
I tried to scale, using SCALA through CCP4i GUI, three blocks of data collected with one crystal (3 mtz files output from MOSFLM). The GUI has only one MTZ input slot. Which program can be used to combine the 3 unmerged mtz files together? CAD refused to handle these raw mtz files. Thanks in a

Re: [ccp4bb] Sulfate ion on 2-fold axis

2008-01-10 Thread Charlie Bond
Eleanor Dodson wrote: > It should be more or less equivalent, but better I think to put 1S at > 0.5 occ and 2O at occ = 1 > > At least in REFMAC the restraints to the symmetry atoms should be set up But if you do that, some of the bond angles will be unrestrained, won't they?: O1-S-O2 will be OK,

[ccp4bb] FW: [ccp4bb] crystallization robot

2008-01-10 Thread Bob Cudney
What a great time in crystallization; lots of options, lots of choices. After reviewing the automation available for crystallization and our unique needs we decided on the Phoenix. We have used the Phoenix from Art Robbins Instruments with excellent results since installation October 2006. Eac

[ccp4bb] HHMI Post-doc Job opening

2008-01-10 Thread mjvdwoerd
All, I am posting on behalf of Dr. Karolin Luger. Dr. Luger has a job opening for a post-doctoral researcher. Job Summary: Looking for a highly motivated individual with a strong interest in integrated approaches to problems in structural biology. The lab has extensive crystallographic and sp

Re: [ccp4bb] crystallization robot

2008-01-10 Thread Janet Newman
I bought a replacement Cartesian Tip (in Australia) on the 8th of october, 2007 and got charged $660 AUD (of which 60 bucks was the GST tax) - on the 8th of october, the AUD-USD exchange rate was 0.8956, so that would be $537 USD, which is quite a long way from both '$700' and 'under $300'. The t

[ccp4bb] ACA 2008 New Structures Session

2008-01-10 Thread Mark Wilson
This is an additional reminder to the community that January 12 (Saturday) is the deadline for abstract submissions for the New Structures session at the 2008 ACA meeting in Knoxville, TN. The session will feature a balance of talks from both the protein and nucleic acid crystallographic communi

[ccp4bb] Postdoc positions at Purdue University

2008-01-10 Thread Michael Oldham
Postdoctoral positions in Structural Biology are available immediately in the Chen laboratory at Purdue University. As part of the Markey Center for Structural Biology, the Chen lab integrates X-ray crystallography and biochemical methods to study the mechanism of active transport (See Nature, 450

Re: [ccp4bb] unbiased electron density map

2008-01-10 Thread Dale Tronrud
Dirk Kostrewa wrote: Am 10.01.2008 um 01:53 schrieb Dale Tronrud: ... Your quote bring up another matter. An "initial" map, i.e. before refinement, is unbiased if it is an omit map. If you have done no refinement and you leave the interesting part out of the calculation of Fc there can not

Re: [ccp4bb] Zn fingers and Ni columns

2008-01-10 Thread Kendall Nettles
Phoebe, We were able to purify the estrogen receptor DNA binding domain with a 6his-tag. After cutting off the tag and re-applying to the Ni-NTA matrix, the protein did not stick to the beads. We had some low resolution crystals that contained a second protein and DNA, which suggests to me that th

Re: [ccp4bb] Gordon conference on membrane protein structure/function

2008-01-10 Thread Susan Buchanan
Dear colleagues, We are pleased to announce that the Ligand Recognition and Molecular Gating GRC will be held in Ventura, CA, 2-7 March 2008. This Gordon Research Conference focuses on the structure and function of integral membrane proteins involved in transmembrane signaling (receptors) an

Re: [ccp4bb] crystallization robot

2008-01-10 Thread Lisa A Nagy
I was wrong on the price- yes $300/per, but still, it was a lot of money when we had catastrophic crash several years ago (due to something going haywire- not a script or operator error). I know the nitonol tips are not fool-proof- they just seem a bit more forgiving than the ceramic tips. As

[ccp4bb] Two postdoc positions at SGX Pharmaceuticals

2008-01-10 Thread Shane Atwell
We have recently opened up two postdoc positions, one in bioinformatics and one in crystallization. The descriptions can be found here: http://www.sgxpharma.com/careers/opportunities.php They read in part, Bioinformatics position: "The candidate will perform original basic research in structural

Re: [ccp4bb] Principal axes and moment of inertia matrix

2008-01-10 Thread Ralf W. Grosse-Kunstleve
Hi Buz, > Does anyone have a python routine that can be used to calculate the > moment of inertia matrix and principal axes of a selection of atoms? If you have Phenix, CCI Apps or just cctbx installed, try the script below. Example: mmtbx.python script.py 1NSF.pdb 'resname GLU and resid 73

Re: [ccp4bb] crystallization robot

2008-01-10 Thread David Briggs
With regard to the Phoenix: I'm not sure why you've had these problems with the robot, We use 100+100ul regularly and the CryCam has little or no problem scanning in the drops. Maybe it needs a little TLC to get it properly aligned. 12mins seems a little too long for a 3x96 plate - I'm sure with

Re: [ccp4bb] crystallization robot

2008-01-10 Thread Alexey Rak
A little comment on not breakable Phoenix needles. I saw not recoverably bended tips (all 96!) as a result of not very careful operation (done by rep) during presentation of the instrument, I do not know how much is 96 nitinol tips set for replacement Additionally, you hardly can go with 100+

Re: [ccp4bb] crystallization robot

2008-01-10 Thread Boutin, Ray
Not to inject a commercial tone, but there seems to be a bias in the posting below. The ceramic tips are breakable, but not all find them incredibly so. And the price is less then $300, not $700. -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Lisa A Na

Re: [ccp4bb] ideal bond length and bong angel

2008-01-10 Thread Gerard DVD Kleywegt
Please do NOT use the BB for abuse. thank you for your support. although i think some abuse of the english language is unavoidable in an international forum like this --gerard (more important issue: http://www.irrepressible.info/)

Re: [ccp4bb] unbiased electron density map

2008-01-10 Thread Dirk Kostrewa
Am 10.01.2008 um 01:53 schrieb Dale Tronrud: ... Your quote bring up another matter. An "initial" map, i.e. before refinement, is unbiased if it is an omit map. If you have done no refinement and you leave the interesting part out of the calculation of Fc there can not be any bias in either

Re: [ccp4bb] bond lengths, angles, ideality and refinements

2008-01-10 Thread Dirk Kostrewa
Am 09.01.2008 um 20:48 schrieb Anastassis Perrakis: I actually think that inaccurate cells are a big source of misery in many refinements. I have found the idea of WhatCheck to actually check your cell by looking at the projection of bond lengths of certain types along the cell axes most us

Re: [ccp4bb] Sulfate ion on 2-fold axis

2008-01-10 Thread Eleanor Dodson
Jie Liu wrote: > Dear all > > I have a sulfate ion sitting on a 2-fold axis. Should I put in pdb file > one S atom with occu=0.5 and two O atoms with occu=1, or should > I put one S and four O atoms all with occu=0.5? > > Thanks for your inputs. > > Jie > > > It should be more or less equivalent

Re: [ccp4bb] ideal bond length and bong angel

2008-01-10 Thread Eleanor Dodson
Please do NOT use the BB for abuse. Eleanor Gerard DVD Kleywegt wrote: Be care, you insolence might get someone sent disappear. is the chinese secret service editing my incoming mail already, or are you merely using a microsoft grammar checker? --dvd *